Information card for entry 4072384

Structure parameters

• Formula: C24 H42.67 B0.67 F2.67 N1.33 O0.67 P0.67 Pd0.67
• Calculated formula: C24 H42.6667 B0.666667 F2.66667 N1.33333 O0.666667 P0.666667 Pd0.666667
• Title of publication: Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity
• Authors of publication: Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6507
• a: 10.9411 ± 0.0001 Å
• b: 19.7725 ± 0.0002 Å
• c: 17.8474 ± 0.0002 Å
• α: 90°
• β: 93.8024 ± 0.0005°
• γ: 90°
• Cell volume: 3852.48 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9583
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No